1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate

C114H169Br2IN20O15 — CID 162180423

About 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate

1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate (PubChem CID 162180423) has the molecular formula C114H169Br2IN20O15 and a molecular weight of 2346.44 g/mol. Its IUPAC name is 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
• PubChem CID: 162180423
• Molecular Formula: C114H169Br2IN20O15
• Molecular Weight: 2346.44 g/mol
• Exact Mass: 2343.05
• IUPAC Name: 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
• SMILES: CCc1noc(-c2cc(Br)cnc2N2CCC(NC3CCCCC3)CC2)n1.COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(O)C1.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(I)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1
• InChI: InChI=1S/C20H28BrN5O.C20H31N3O3.C19H29N3O3.C19H29N3O2.C18H26BrN3O3.C18H26IN3O3/c1-2-18-24-20(27-25-18)17-12-14(21)13-22-19(17)26-10-8-16(9-11-26)23-15-6-4-3-5-7-15;1-14-10-17(20(25)26-2)19(21-11-14)23-9-8-18(15(12-23)13-24)22-16-6-4-3-5-7-16;1-13-10-15(19(24)25-2)18(20-11-13)22-9-8-16(17(23)12-22)21-14-6-4-3-5-7-14;1-14-12-17(19(23)24-2)18(20-13-14)22-10-8-16(9-11-22)21-15-6-4-3-5-7-15;2*1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h12-13,15-16,23H,2-11H2,1H3;10-11,15-16,18,22,24H,3-9,12-13H2,1-2H3;10-11,14,16-17,21,23H,3-9,12H2,1-2H3;12-13,15-16,21H,3-11H2,1-2H3;2*9-10,13,15-16,21,23H,2-8,11H2,1H3/t;;;;2*15-,16-/m....11/s1
• InChIKey: ZOYDSNQEIPMDLG-RMVDOQNZSA-N
• XLogP: 16.57
• TPSA: 420.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.44
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?

The IUPAC name of 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate (CID 162180423) is 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate.

What is the SMILES notation for 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?

The canonical SMILES for 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate is CCc1noc(-c2cc(Br)cnc2N2CCC(NC3CCCCC3)CC2)n1.COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(O)C1.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(I)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.

What is the InChIKey of 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?

The InChIKey is ZOYDSNQEIPMDLG-RMVDOQNZSA-N. The full InChI is InChI=1S/C20H28BrN5O.C20H31N3O3.C19H29N3O3.C19H29N3O2.C18H26BrN3O3.C18H26IN3O3/c1-2-18-24-20(27-25-18)17-12-14(21)13-22-19(17)26-10-8-16(9-11-26)23-15-6-4-3-5-7-15;1-14-10-17(20(25)26-2)19(21-11-14)23-9-8-18(15(12-23)13-24)22-16-6-4-3-5-7-16;1-13-10-15(19(24)25-2)18(20-11-13)22-9-8-16(17(23)12-22)21-14-6-4-3-5-7-14;1-14-12-17(19(23)24-2)18(20-13-14)22-10-8-16(9-11-22)21-15-6-4-3-5-7-15;2*1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h12-13,15-16,23H,2-11H2,1H3;10-11,15-16,18,22,24H,3-9,12-13H2,1-2H3;10-11,14,16-17,21,23H,3-9,12H2,1-2H3;12-13,15-16,21H,3-11H2,1-2H3;2*9-10,13,15-16,21,23H,2-8,11H2,1H3/t;;;;2*15-,16-/m....11/s1.

What are the key properties of 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?

1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate has a molecular weight of 2346.44 g/mol, XLogP of 16.57, 26 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-bromo-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 162180423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).